1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea
TL;DR: 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea (CAS 108718-01-0) is a chemical compound with molecular formula C15H13N3OS and molecular weight 283.07794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylurea
Also Known As: 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea, BAS 05590332, 1-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylurea, 1-(6-Methylbenzo[d]thiazol-2-yl)-3-phenylurea, 3-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylurea
Technical Specifications
| Molecular Formula | C15H13N3OS |
| Molecular Weight | 283.07794 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.07794 Da |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3 |
| InChIKey | XZDBPQJEWAFHAW-UHFFFAOYSA-N |
Chemical Property Profile of 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea
Property Insights of 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea
The XLogP value of 3.6 indicates that 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea. Following Lipinski's Rule of Five, 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea?
The CAS number of 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea is 108718-01-0.
What is the molecular formula of 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea?
The molecular formula of 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea is C15H13N3OS.
What is the molecular weight of 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea?
The molecular weight of 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea is 283.07794 g/mol.
Where can I buy 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea?
You can request a quote for 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea?
Yes, CoreyChem provides custom synthesis services for 1-(6-Methyl-benzothiazol-2-yl)-3-phenyl-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.